Geometry & MOs

Info

ID:	400455
PubChem CID:	135048001
Reduced:	FeO5H16C17 (1)
Stoich.:	AB5C16D17 (1)
Weight, g/mol:	216.11503
ΔH_f, kcal/mol:	106.19
Dipole, Da:	1.94
IP(EA), eV:	-7.43(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-4-[(1R)-4-methoxycyclohexa-2,4-dien-1-yl]benzene

Drug info:

PubChemData

Smile

COC1=CC[C@H](C=C1)C2=CC=C(C=C2)OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

DOS

IR

Vibrations